| Structural highlights
4a4x is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: |
| | Related: | 2xkc, 2w5b, 2xnp, 2wqo, 2jav, 2xke, 2xkd, 2w5h, 2xk7, 2xkf, 2xk8, 2xno, 2xk6, 2xnn, 2xk4, 2xk3, 2xnm, 2w5a, 4afe |
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Publication Abstract from PubMed
We report herein a series of Nek2 inhibitors based on an aminopyridine scaffold. These compounds have been designed by combining key elements of two previously discovered chemical series. Structure based design led to aminopyridine (R)-21, a potent and selective inhibitor able to modulate Nek2 activity in cells.
Design of potent and selective hybrid inhibitors of the mitotic kinase nek2: structure-activity relationship, structural biology, and cellular activity.,Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S J Med Chem. 2012 Apr 12;55(7):3228-41. Epub 2012 Mar 23. PMID:22404346[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S. Design of potent and selective hybrid inhibitors of the mitotic kinase nek2: structure-activity relationship, structural biology, and cellular activity. J Med Chem. 2012 Apr 12;55(7):3228-41. Epub 2012 Mar 23. PMID:22404346 doi:10.1021/jm201683b
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